2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C14H18N2O4S — CID 107737186

IUPAC2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C14H18N2O4S/c1-3-12-16(11(8-21-12)13(18)19)14(20)15(2)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3,8H2,1-2H3,(H,18,19)
InChIKeyUUSYCTUIZSAVRS-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.19
Rot. Bonds3

About 2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107737186) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID107737186
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C14H18N2O4S/c1-3-12-16(11(8-21-12)13(18)19)14(20)15(2)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3,8H2,1-2H3,(H,18,19)
InChIKeyUUSYCTUIZSAVRS-UHFFFAOYSA-N
XLogP2.19
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 107737186) is 2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)N(C)c1cccc(O)c1.
What is the InChIKey of 2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UUSYCTUIZSAVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-3-12-16(11(8-21-12)13(18)19)14(20)15(2)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3,8H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107737186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).